piperazine-2,3-dione;1H-pyridazin-6-one

C8H10N4O3 — CID 159156553

IUPACpiperazine-2,3-dione;1H-pyridazin-6-one
SMILESO=C1NCCNC1=O.O=c1cccn[nH]1
InChIInChI=1S/C4H6N2O2.C4H4N2O/c7-3-4(8)6-2-1-5-3;7-4-2-1-3-5-6-4/h1-2H2,(H,5,7)(H,6,8);1-3H,(H,6,7)
InChIKeyKJYRWANMQRWQQV-UHFFFAOYSA-N
MW210.19 g/mol
LogP-2.00
Rot. Bonds

About piperazine-2,3-dione;1H-pyridazin-6-one

piperazine-2,3-dione;1H-pyridazin-6-one (PubChem CID 159156553) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is piperazine-2,3-dione;1H-pyridazin-6-one.

Molecular Properties

Compound Namepiperazine-2,3-dione;1H-pyridazin-6-one
PubChem CID159156553
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Namepiperazine-2,3-dione;1H-pyridazin-6-one
SMILESO=C1NCCNC1=O.O=c1cccn[nH]1
InChIInChI=1S/C4H6N2O2.C4H4N2O/c7-3-4(8)6-2-1-5-3;7-4-2-1-3-5-6-4/h1-2H2,(H,5,7)(H,6,8);1-3H,(H,6,7)
InChIKeyKJYRWANMQRWQQV-UHFFFAOYSA-N
XLogP-2.00
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze piperazine-2,3-dione;1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperazinyl-pyridazinone
CID 17976134
N-isopropyl-2-(6-oxopyridazin-1(6H)-yl)acetamide
CID 45548738
2-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 45548890
2-(6-Oxopyridazin-1-yl)acetohydrazide
CID 63579057
piperazine;1H-pyridazin-6-one
CID 67083956
4-Piperazin-1-yl-2-prop-2-enylpyridazin-3-one
CID 69609691
5-[piperazin-1-yl(prop-2-enyl)amino]-1H-pyridazin-6-one
CID 69703819
4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one
CID 114393023
N-methyl-2-(6-oxopyridazin-1-yl)acetamide
CID 130682875
N-ethyl-2-(6-oxopyridazin-1-yl)acetamide
CID 131201227
2-Piperazin-1-ylpyridazin-3-one
CID 140612025
2-(3-Piperazin-1-ylprop-2-enyl)pyridazin-3-one
CID 173361428

Frequently Asked Questions

What is the IUPAC name of piperazine-2,3-dione;1H-pyridazin-6-one?
The IUPAC name of piperazine-2,3-dione;1H-pyridazin-6-one (CID 159156553) is piperazine-2,3-dione;1H-pyridazin-6-one.
What is the SMILES notation for piperazine-2,3-dione;1H-pyridazin-6-one?
The canonical SMILES for piperazine-2,3-dione;1H-pyridazin-6-one is O=C1NCCNC1=O.O=c1cccn[nH]1.
What is the InChIKey of piperazine-2,3-dione;1H-pyridazin-6-one?
The InChIKey is KJYRWANMQRWQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C4H4N2O/c7-3-4(8)6-2-1-5-3;7-4-2-1-3-5-6-4/h1-2H2,(H,5,7)(H,6,8);1-3H,(H,6,7).
What are the key properties of piperazine-2,3-dione;1H-pyridazin-6-one?
piperazine-2,3-dione;1H-pyridazin-6-one has a molecular weight of 210.19 g/mol, XLogP of -2.00, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2,3-dione;1H-pyridazin-6-one is sourced from PubChem (CID 159156553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).